CID 154699918

Ns00127419

Structural Information

Molecular Formula
C9H18Cl3N2O3P
SMILES
C1CO[P@](=O)(N(C1O)CCCl)N(CCCl)CCCl
InChI
InChI=1S/C9H18Cl3N2O3P/c10-2-5-13(6-3-11)18(16)14(7-4-12)9(15)1-8-17-18/h9,15H,1-8H2/t9?,18-/m0/s1
InChIKey
RAXABQCFPAWRSY-AHMWTOSDSA-N
Compound name
(2S)-2-[bis(2-chloroethyl)amino]-3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.01205 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.01933 165.0
[M+Na]+ 361.00127 171.6
[M-H]- 337.00477 164.8
[M+NH4]+ 356.04587 179.8
[M+K]+ 376.97521 168.5
[M+H-H2O]+ 321.00931 159.1
[M+HCOO]- 383.01025 174.1
[M+CH3COO]- 397.02590 208.0
[M+Na-2H]- 358.98672 165.0
[M]+ 338.01150 169.2
[M]- 338.01260 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.